Addition of the sulfhydryl group (-SH) to the PPR78 model: Estimation of missing group-interaction parameters for systems containing mercaptans and carbon dioxide or nitrogen or methane, from newly published data
Identifieur interne : 000980 ( Main/Exploration ); précédent : 000979; suivant : 000981Addition of the sulfhydryl group (-SH) to the PPR78 model: Estimation of missing group-interaction parameters for systems containing mercaptans and carbon dioxide or nitrogen or methane, from newly published data
Auteurs : Romain Privat [France] ; Jean-Noël Jaubert [France]Source :
- Fluid phase equilibria [ 0378-3812 ] ; 2012.
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- topic : Azote.
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Abstract
In 2008, the PPR78 model (Predictive Peng-Robinson 1978) was extended to mercaptan-containing systems by adding the sulfhydryl group (-SH), that is, by determining the values of the group-interaction parameters between the group -SH and the fourteen other groups already present in the PPR78 model. Unfortunately, due to a lack of experimental data reported in the open literature, it was not possible to characterize interactions between the group -SH and the three groups: ethane, CO2 and N2. Very recently, vapor-liquid equilibrium data for three binary systems containing methanethiol and respectively methane, nitrogen and carbon dioxide were however measured. It was thus decided to use these data to estimate two of the missing group-interaction parameters (-SH/CO2 and -SH/N2). For such systems, deviations observed with the PPR78 model are compared to those obtained with the CPA equation of state.
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Ecole Nationale Supérieure des Industries Chimiques (ENSIC), Laboratoire Réactions et Genie des Procédés (UPR CNRS 3349), 1 rue Grandville, B.P. 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">INIST</idno><idno type="inist">12-0432473</idno><date when="2012">2012</date><idno type="stanalyst">PASCAL 12-0432473 INIST</idno><idno type="RBID">Pascal:12-0432473</idno><idno type="wicri:Area/PascalFrancis/Corpus">000095</idno><idno type="wicri:Area/PascalFrancis/Curation">000A15</idno><idno type="wicri:Area/PascalFrancis/Checkpoint">000140</idno><idno type="wicri:explorRef" wicri:stream="PascalFrancis" wicri:step="Checkpoint">000140</idno><idno type="wicri:doubleKey">0378-3812:2012:Privat R:addition:of:the</idno><idno type="wicri:Area/Main/Merge">000A67</idno><idno type="wicri:source">HAL</idno><idno type="RBID">Hal:hal-00776884</idno><idno type="url">https://hal.archives-ouvertes.fr/hal-00776884</idno><idno type="wicri:Area/Hal/Corpus">000073</idno><idno type="wicri:Area/Hal/Curation">000073</idno><idno type="wicri:Area/Hal/Checkpoint">000841</idno><idno type="wicri:explorRef" wicri:stream="Hal" wicri:step="Checkpoint">000841</idno><idno type="wicri:doubleKey">0378-3812:2012:Privat R:addition:of:the</idno><idno type="wicri:Area/Main/Merge">000919</idno><idno type="wicri:Area/Main/Curation">000980</idno><idno type="wicri:Area/Main/Exploration">000980</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Addition of the sulfhydryl group (-SH) to the PPR78 model: Estimation of missing group-interaction parameters for systems containing mercaptans and carbon dioxide or nitrogen or methane, from newly published data</title><author><name sortKey="Privat, Romain" sort="Privat, Romain" uniqKey="Privat R" first="Romain" last="Privat">Romain Privat</name><affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Université de Lorraine - Ecole Nationale Supérieure des Industries Chimiques (ENSIC), Laboratoire Réactions et Genie des Procédés (UPR CNRS 3349), 1 rue Grandville, B.P. 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation></author><author><name sortKey="Jaubert, Jean Noel" sort="Jaubert, Jean Noel" uniqKey="Jaubert J" first="Jean-Noël" last="Jaubert">Jean-Noël Jaubert</name><affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Université de Lorraine - Ecole Nationale Supérieure des Industries Chimiques (ENSIC), Laboratoire Réactions et Genie des Procédés (UPR CNRS 3349), 1 rue Grandville, B.P. 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation></author></analytic><series><title level="j" type="main">Fluid phase equilibria</title><title level="j" type="abbreviated">Fluid phase equilib.</title><idno type="ISSN">0378-3812</idno><imprint><date when="2012">2012</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Fluid phase equilibria</title><title level="j" type="abbreviated">Fluid phase equilib.</title><idno type="ISSN">0378-3812</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Azote</term></keywords><keywords scheme="mix" xml:lang="en"><term>Binary interaction parameters</term><term>CPA</term><term>Carbon dioxide</term><term>EQUATION-OF-STATE</term><term>EXTENSION</term><term>K(IJ)</term><term>Mercaptan</term><term>Methane</term><term>Nitrogen</term><term>PENG-ROBINSON EOS</term><term>PHASE-EQUILIBRIA</term><term>PPR78</term><term>PREDICTIVE 1978</term><term>Predictive model</term><term>Sulfhydryl</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">In 2008, the PPR78 model (Predictive Peng-Robinson 1978) was extended to mercaptan-containing systems by adding the sulfhydryl group (-SH), that is, by determining the values of the group-interaction parameters between the group -SH and the fourteen other groups already present in the PPR78 model. Unfortunately, due to a lack of experimental data reported in the open literature, it was not possible to characterize interactions between the group -SH and the three groups: ethane, CO<sub>2</sub> and N<sub>2</sub>. Very recently, vapor-liquid equilibrium data for three binary systems containing methanethiol and respectively methane, nitrogen and carbon dioxide were however measured. It was thus decided to use these data to estimate two of the missing group-interaction parameters (-SH/CO<sub>2</sub> and -SH/N<sub>2</sub>). For such systems, deviations observed with the PPR78 model are compared to those obtained with the CPA equation of state.</div></front></TEI><affiliations><list><country><li>France</li></country><region><li>Grand Est</li><li>Lorraine (région)</li></region><settlement><li>Nancy</li></settlement></list><tree><country name="France"><region name="Grand Est"><name sortKey="Privat, Romain" sort="Privat, Romain" uniqKey="Privat R" first="Romain" last="Privat">Romain Privat</name></region><name sortKey="Jaubert, Jean Noel" sort="Jaubert, Jean Noel" uniqKey="Jaubert J" first="Jean-Noël" last="Jaubert">Jean-Noël Jaubert</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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